Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13367221 | 0.90 | TSHR (0.63) | NOTUMTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL3424562 | 0.86 | NOTUM (0.60) | NOTUMTSHRMEN1KMT2AS1PR2 | |
| SCHEMBL17980869 | 0.83 | CNR2 (0.42) | NOTUMMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL13367223 | 0.80 | KMT2A (0.43) | NOTUMTSHRMEN1KMT2AS1PR2 | |
| SCHEMBL15959660 | 0.78 | NOTUM (0.53) | NOTUMTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL3424497 | 0.78 | TSHR (0.66) | NOTUMTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL15716499 | 0.76 | NOTUM (0.49) | NOTUMTSHRS1PR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL15716479 | 0.74 | CYP1A2 (0.48) | NOTUMTSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL5234623 | 0.74 | CCR2 (0.47) | TSHRALDH1A1TLR7LMNAMAPK1 | |
| SCHEMBL8304416 | 0.73 | NOTUM (1.00) | NOTUMTSHRMEN1KMT2AS1PR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718781-B2 | Hydroxypyridonate and hydroxypyrimidinone chelating agents | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-05-18 | — | — | US | disclosed |
| WO-2007121453-A2 | 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-10-25 | — | — | WO | disclosed |